(1R,4S,7As)-4-Methoxy-1-[(2E)-1-Oxo-2-Buten-2-Yl]-2,4,5,6,7,7A-Hexahydro-1H-Isoindole-3-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C14H19NO4 |
IUPAC Name | (3r,3as,7s)-3-[(e)-1-formylprop-1-enyl]-7-methoxy-3,3a,4,5,6,7-hexahydro-2h-isoindole-1-carboxylic acid |
Molecular Mass | 265.305 g·mol−1 |
Heat of Formation | -599.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.42 ± 1.08 D |
Volume | 322.18 Å 3 |
Surface Area | 272.93 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | 2.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZYKSDPVHVMSKIL-IIHMJNQGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |